methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate
TL;DR: methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate (CAS 936-03-8) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate
Also Known As: methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate, Methyl 2-hydroxycyclohexanecarboxylate, cis-Methyl 2-hydroxycyclohexanecarboxylate, J1.486.140H, methyl (1S,2R)-2-hydroxycyclohexanecarboxylate
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 936-03-8 |
|---|---|
| SMILES | COC(=O)[C@H]1CCCC[C@H]1O |
| InChIKey | IAJQZEQYGUQTQS-NKWVEPMBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate (CAS 936-03-8), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: cis-methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate.
Chemical Property Profile of methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate
Property Insights of methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate. With a topological polar surface area (TPSA) of 46.5 Ų, methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate?
The CAS number of methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate is 936-03-8.
What is the molecular formula of methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate?
The molecular formula of methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate is C8H14O3.
What is the molecular weight of methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate?
The molecular weight of methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate is 158.09 g/mol.
Where can I buy methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate?
You can request a quote for methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (1S,2R)-2-hydroxycyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.